diff --git a/meta_data_analysis/kd_df.py b/meta_data_analysis/kd_df.py index f9b94fe..c08f157 100644 --- a/meta_data_analysis/kd_df.py +++ b/meta_data_analysis/kd_df.py @@ -70,6 +70,9 @@ print('Output filename:', out_filename , '\n=============================================================') #%% end of variable assignment for input and output files #======================================================================= +#=================== +#calculate KD values: same as the expasy server +#=================== #%%specify window size for hydropathy profile computation # https://web.expasy.org/protscale/pscale/protscale_help.html my_window = 3 @@ -104,6 +107,9 @@ else: ,'\nExpected length:', expected_length ,'\nActual length:', len(kd_values) , '\n=========================================================') +#=================== +# creating two dfs +#=================== #%% make 2 dfs; 1) aa sequence and 2) kd_values. Then reset index for each df # which will allow easy merging of the two dfs. @@ -153,7 +159,9 @@ else: print('Checking dtype for after conversion:\n' , '\ndtype is:', kd_df.index.dtype , '\n=========================================================') -#%% write file +#=============== +# writing file +#=============== print('Writing file:', out_filename , '\nFilename:', out_filename , '\nPath:', outdir @@ -166,7 +174,9 @@ print('Finished writing:', out_filename , '\nNo. of cols:', len(kd_df.columns) , '\n=============================================================') -#%% plot +#=============== +# plot: optional! +#===============#%% plot # http://www.dalkescientific.com/writings/NBN/plotting.html # FIXME: save fig